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Information card for entry 7150814
Preview
| Coordinates | 7150814.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | ChemSpider |
| Formula | C28 H30 N2 O3 S2 |
|---|---|
| Calculated formula | C28 H30 N2 O3 S2 |
| SMILES | S1(=O)(=O)N(C(=O)[C@@H](c2nc(sc2)c2ccccc2)Cc2ccccc2)[C@H]2[C@@]3(C1)C([C@@H](C2)CC3)(C)C |
| Title of publication | Development of new thiazole-based iridium catalysts and their applications in the asymmetric hydrogenation of trisubstituted olefins |
| Authors of publication | Cheruku, Pradeep; Paptchikhine, Alexander; Ali, Muhammad; Neudörfl, Jörg-M.; Andersson, Pher G. |
| Journal of publication | Organic & Biomolecular Chemistry |
| Year of publication | 2008 |
| Journal volume | 6 |
| Journal issue | 2 |
| Pages of publication | 366 - 373 |
| a | 14.5931 ± 0.0006 Å |
| b | 21.5413 ± 0.0008 Å |
| c | 8.0149 ± 0.0003 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 2519.52 ± 0.17 Å3 |
| Cell temperature | 0 ± 2 K |
| Ambient diffraction temperature | 0 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 18 |
| Hermann-Mauguin space group symbol | P 21 21 2 |
| Hall space group symbol | P 2 2ab |
| Residual factor for all reflections | 0.0748 |
| Residual factor for significantly intense reflections | 0.0465 |
| Weighted residual factors for significantly intense reflections | 0.0861 |
| Weighted residual factors for all reflections included in the refinement | 0.0939 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.99 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 202017 (current) | 2017-10-14 | cif/ Marking COD entries in range 7 that are known to be related to ChemSpider entries using the _cod_related_entry data loop. |
7150814.cif |
| 180294 | 2016-03-26 | cif/7/15/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/15/08. |
7150814.cif |
| 120443 | 2014-07-15 | Adding 17924 DOIs guessed from source file names. | 7150814.cif |
| 35909 | 2012-02-26 | cif/7/: reorganising range 7 into a prefix-directory tree. | 7150814.cif |
| 1173 | 2010-05-16 | cif/7/: adding data from Dalton-Trans-2008, New-J-Chem-2008, Org-Biomol-Chem-2008 and RSC-2008 processing. | 7150814.cif |
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Users of the data should acknowledge the original authors of the
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